Malonyl-CoA semialdehyde
TL;DR: Malonyl-CoA semialdehyde (CAS 6244-93-5) is a chemical compound with molecular formula C24H38N7O18P3S and molecular weight 837.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxopropanethioate
Also Known As: 3-Oxopropionyl-CoA, Malonyl-CoA semialdehyde, 3-oxopropanoyl-CoA, Malonylsemialdehyde-CoA, S-(3-oxopropanoate
| Molecular Formula | C24H38N7O18P3S |
|---|---|
| Molecular Weight | 837.12 g/mol |
| LogP | -6.0 |
| Topological Polar Surface Area | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Exact Mass | 837.12067 |
| Heavy Atoms | 53 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 6244-93-5 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC=O)O |
| InChIKey | NMEYBPUHJHMRHU-UXYNFSPESA-N |
Product Overview
Malonyl-CoA semialdehyde (CAS 6244-93-5), with molecular formula C24H38N7O18P3S and molecular weight 837.12 g/mol. IUPAC: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxopropanethioate.
Chemical Property Profile of Malonyl-CoA semialdehyde
Property Insights of Malonyl-CoA semialdehyde
The XLogP value of -6.0 indicates that Malonyl-CoA semialdehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 406.0 Ų indicates high polarity, suggesting Malonyl-CoA semialdehyde may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malonyl-CoA semialdehyde has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Malonyl-CoA semialdehyde?
The CAS number of Malonyl-CoA semialdehyde is 6244-93-5.
What is the molecular formula of Malonyl-CoA semialdehyde?
The molecular formula of Malonyl-CoA semialdehyde is C24H38N7O18P3S.
What is the molecular weight of Malonyl-CoA semialdehyde?
The molecular weight of Malonyl-CoA semialdehyde is 837.12 g/mol.
Where can I buy Malonyl-CoA semialdehyde?
You can request a quote for Malonyl-CoA semialdehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonyl-CoA semialdehyde?
Yes, KEHONG BIO provides custom synthesis services for Malonyl-CoA semialdehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.